(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine

C12H17ClN2O — CID 104959964

IUPAC(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(CCl)ccn2)C[C@H](C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(8-10(2)16-9)12-5-11(6-13)3-4-14-12/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyUCLHWQNDMGLBRL-AOOOYVTPSA-N
MW240.73 g/mol
LogP2.43
Rot. Bonds2

About (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine

(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 104959964) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
PubChem CID104959964
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(CCl)ccn2)C[C@H](C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(8-10(2)16-9)12-5-11(6-13)3-4-14-12/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyUCLHWQNDMGLBRL-AOOOYVTPSA-N
XLogP2.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370754
4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
CID 61257388
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
CID 62091611
4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
CID 61257804
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
CID 61445466
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
(2R,6S)-4-[4-(chloromethyl)quinolin-2-yl]-2,6-dimethylmorpholine
CID 104959969
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine (CID 104959964) is (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2cc(CCl)ccn2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is UCLHWQNDMGLBRL-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-7-15(8-10(2)16-9)12-5-11(6-13)3-4-14-12/h3-5,9-10H,6-8H2,1-2H3/t9-,10+.
What are the key properties of (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 104959964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).